O-Butyrylthiamine disulfide

Molecular Formula: C₃₂H₄₆N₈O₆S₂

InChI: InChI=1/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22+/f/h33-34H2

InChIKey: InChIKey=YMEBNAABDXLAJE-ZHISKJCODM
SMILES: CCCC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)CCC

Names:
    Bisbutitiamine [JAN]
    Bisbutitiamine
    Dithiobis(3-(1-(((4-amino-2-methylpyrimidin-5-yl)methyl)formylamino)ethylidene)propane-3,1-diyl) dibutyrate
    EINECS 242-370-8
    O-Butyrylthiamine disulfide
    18481-23-7
    [(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-butanoyloxy-pent-2-en-3-yl]disulfanyl-pent-3-enyl] butanoate

Registries:
    PubChem CID 3034017
    PubChem ID 213715